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optical gap

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3 results in Keywords: optical gap

Physical Chemistry

Strongly Bound Excitons in Metal-Organic Framework MOF-5: A Many-Body Perturbation Theory Study

Aseem Rajan Kshirsagar, Xavier Blase, Claudio Attaccalite, Roberta Poloni

Version 1 posted 16 February 2021

574

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Polymer Science

Harnessing DFT and Machine Learning for Accurate Optical Gap Prediction in Conjugated Polymers

Bin Liu, Yunrui Yan, Mingjie Liu

Version 1 posted 19 August 2024

216

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Theoretical and Computational Chemistry

In the Quest for a Stable Triplet State in Small Polyaromatic Hydrocarbons : An In-Silico Tool for Rational Design and Prediction

Madhumita Rano, Sumanta K Ghosh, Debashree Ghosh

Version 1 posted 17 May 2019

599

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